Materials Data on TiNiO6 by Materials Project
TiNiO6 crystallizes in the trigonal R3 space group. The structure is three-dimensional. Ti is bonded in a 6-coordinate geometry to six O atoms. There is three shorter (1.84 Å) and three longer (2.14 Å) Ti–O bond length. Ni is bonded in an octahedral geometry to six O atoms. There is three shorter (1.83 Å) and three longer (1.85 Å) Ni–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Ti and one Ni atom. In the second O site, O is bonded in a water-like geometry to one Ti and one Ni atom.
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